KEGG   COMPOUND: C20502
Entry
C20502                      Compound                               
Name
5'-Oxoaverantin;
1,3,6,8-Tetrahydroxy-2-[(1S)-1-hydroxy-5-oxohexyl]anthracene-9,10-dione
Formula
C20H18O8
Exact mass
386.1002
Mol weight
386.35
Structure
Reaction
R10310 R10311 R10475
Pathway
map00254  Aflatoxin biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00937  Aflatoxin biosynthesis, malonyl-CoA => aflatoxin B1
Enzyme
1.1.1.352       4.2.1.142
Other DBs
PubChem: 172232251
LinkDB
KCF data

ATOM        28
            1   C8x C    11.9685  -15.4681
            2   C8y C    11.9685  -16.8679
            3   C8x C    13.1808  -17.5677
            4   C8y C    14.3931  -16.8679
            5   C8y C    14.3931  -15.4681
            6   C8y C    13.1808  -14.7681
            7   C5x C    15.6054  -17.5677
            8   C8y C    16.8176  -16.8679
            9   C8y C    16.8176  -15.4681
            10  C5x C    15.6054  -14.7681
            11  C8x C    18.0300  -17.5677
            12  C8y C    19.2422  -16.8679
            13  C8y C    19.2422  -15.4681
            14  C8y C    18.0300  -14.7681
            15  O5x O    15.6054  -13.3683
            16  O5x O    15.6054  -18.9676
            17  O1a O    13.1808  -13.3685
            18  O1a O    10.7563  -17.5677
            19  O1a O    18.0300  -13.3686
            20  O1a O    20.4585  -17.5700
            21  C1c C    20.4598  -14.7681
            22  C1b C    21.6722  -15.4681
            23  C1b C    22.8844  -14.7681
            24  C1b C    24.0967  -15.4681
            25  C5a C    25.3090  -14.7681
            26  C1a C    26.5213  -15.4681
            27  O1a O    20.4612  -13.3685
            28  O5a O    25.3090  -13.3715
BOND        30
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   10  15 2
            18    7  16 2
            19    6  17 1
            20    2  18 1
            21   14  19 1
            22   12  20 1
            23   13  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   21  27 1 #Up
            30   25  28 2

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